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BDBM50145717 (R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-4-yl)-ethoxy]-phenyl}-2-phenoxy-propionic acid::CHEMBL79426

SMILES: Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1

InChI Key: InChIKey=KWSPYUOBNIMILB-AREMUKBSSA-N

Data: 6 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50145717   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50145717
PNG
((R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m1/s1
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n/an/an/an/a 67n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transcriptional activation of reporter assay by human Peroxisome proliferator activated receptor alpha in CV-1 cells

J Med Chem 47: 2422-5 (2004)


Article DOI: 10.1021/jm0342616
BindingDB Entry DOI: 10.7270/Q2TQ6100
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50145717
PNG
((R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m1/s1
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n/an/a 6.75E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of PPARalpha/delta agonist from human Peroxisome proliferator activated receptor delta

J Med Chem 47: 2422-5 (2004)


Article DOI: 10.1021/jm0342616
BindingDB Entry DOI: 10.7270/Q2TQ6100
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50145717
PNG
((R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m1/s1
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n/an/an/an/a 121n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transcriptional activation of reporter assay by PPAR gamma receptor in CV-1 cells

J Med Chem 47: 2422-5 (2004)


Article DOI: 10.1021/jm0342616
BindingDB Entry DOI: 10.7270/Q2TQ6100
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50145717
PNG
((R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m1/s1
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n/an/a 297n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma

Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50145717
PNG
((R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m1/s1
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PubMed
n/an/a 618n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of PPARalpha/delta agonist from human Peroxisome proliferator activated receptor alpha

J Med Chem 47: 2422-5 (2004)


Article DOI: 10.1021/jm0342616
BindingDB Entry DOI: 10.7270/Q2TQ6100
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50145717
PNG
((R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m1/s1
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n/an/a 618n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha

Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50145717
PNG
((R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m1/s1
PDB

UniProtKB/SwissProt
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.75E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta

Bioorg Med Chem 20: 3523-32 (2012)


Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50145717
PNG
((R)-2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)/t26-/m1/s1
PDB
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Reactome pathway
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PC cid
PC sid
UniChem

Patents

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Article
PubMed
n/an/a 297n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of PPARgamma agonist from human PPAR gamma receptor

J Med Chem 47: 2422-5 (2004)


Article DOI: 10.1021/jm0342616
BindingDB Entry DOI: 10.7270/Q2TQ6100
More data for this
Ligand-Target Pair